2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide

SpectraBase Compound ID	JMgRNiDvuT3
InChI	InChI=1S/C29H32N4O2S/c1-20-10-14-23(15-11-20)30-27(34)19-36-28-32-31-26(33(28)25-9-7-6-8-21(25)2)18-35-24-16-12-22(13-17-24)29(3,4)5/h6-17H,18-19H2,1-5H3,(H,30,34)
InChIKey	OMDFOSBACCEGFB-UHFFFAOYSA-N Google Search
Mol Weight	500.7 g/mol
Molecular Formula	C29H32N4O2S
Exact Mass	500.224597 g/mol

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SpectraBase Spectrum ID	73tArnZBLdw
Name	2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C29H32N4O2S/c1-20-10-14-23(15-11-20)30-27(34)19-36-28-32-31-26(33(28)25-9-7-6-8-21(25)2)18-35-24-16-12-22(13-17-24)29(3,4)5/h6-17H,18-19H2,1-5H3,(H,30,34)
InChIKey	OMDFOSBACCEGFB-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6434
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/11252614; Labnumber: 1319; IOH_ID: IOH-006435